General Information of the Compound
| Compound ID |
CP0511308
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| Compound Name |
3-Cyano-5-fluoro-N-(6-butylpyridin-2-yl)benzamide
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| Structure |
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| Formula |
C17H16FN3O
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| Molecular Weight |
297.333
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| Canonical SMILES |
CCCCc1cccc(NC(=O)c2cc(F)cc(c2)C#N)n1
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| InChI |
InChI=1S/C17H16FN3O/c1-2-3-5-15-6-4-7-16(20-15)21-17(22)13-8-12(11-19)9-14(18)10-13/h4,6-10H,2-3,5H2,1H3,(H,20,21,22)
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| InChIKey |
TUWKJYXUJISFEE-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound